8-[[3,4-bis(oxidanyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 8-[[3,4-bis(oxidanyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[(3,4-dihydroxyphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[(3,4-dihydroxyphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[(3,4-dihydroxyphenyl)methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 3-nitro-8-protocatechuyl-10H-phenoxazine-1-carboxylic acid Formula: C20H14N2O7 MolecularWeight: 394.33436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

InChI

InChI=1S/C20H14N2O7/c23-15-3-1-11(7-16(15)24)5-10-2-4-17-14(6-10)21-19-13(20(25)26)8-12(22(27)28)9-18(19)29-17/h1-4,6-9,21,23-24H,5H2,(H,25,26)